Surface electronic structure and reactivity of transition and noble metals 1 (Record no. 46648)

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Transcribing agency CICY
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Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) B-12441
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Title Surface electronic structure and reactivity of transition and noble metals 1
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Volume/sequential designation Journal of Molecular Catalysis A: Chemical, 115(3), p.421-429, 1997
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Summary, etc. We present self-consistent density functional calculations using the LMTO-ASA method of the variations in the surface electronic structure for pseudomorfic overlayers and impurities of Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au on the other metals. Knowledge of these variations is of importance in understanding trends in the reactivity of metal surfaces. A simple model is presented which gives a description of the overall trends in the self-consistently calculated results.
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Personal name Ruban, A.
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Personal name Hammer, B.
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Personal name Stoltze, P.
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Personal name Skriver, H.L.
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Personal name Norskov, J.K.
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Uniform Resource Identifier <a href="https://drive.google.com/file/d/1Ku5p-FXFDy9YDu61G2lc6aGH8A0bsOhV/view?usp=drivesdk">https://drive.google.com/file/d/1Ku5p-FXFDy9YDu61G2lc6aGH8A0bsOhV/view?usp=drivesdk</a>
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